# generated using pymatgen
data_LiSc2(Co3B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63552287
_cell_length_b   5.63552301
_cell_length_c   5.63552262
_cell_angle_alpha   95.96872632
_cell_angle_beta   95.96872396
_cell_angle_gamma   95.96873360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2(Co3B2)3
_chemical_formula_sum   'Li1 Sc2 Co9 B6'
_cell_volume   175.84763445
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.67949681  0.67949681  0.67949681  1.0
  Sc  Sc2  1  0.32050319  0.32050319  0.32050319  1.0
  Co  Co3  1  0.00000000  0.00000000  0.50000000  1.0
  Co  Co4  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co5  1  0.00000000  0.50000000  0.00000000  1.0
  Co  Co6  1  0.70544041  0.20315955  0.70544041  1.0
  Co  Co7  1  0.70544041  0.70544041  0.20315955  1.0
  Co  Co8  1  0.20315955  0.70544041  0.70544041  1.0
  Co  Co9  1  0.29455959  0.79684045  0.29455959  1.0
  Co  Co10  1  0.29455959  0.29455959  0.79684045  1.0
  Co  Co11  1  0.79684045  0.29455959  0.29455959  1.0
  B  B12  1  0.61364229  0.38635771  0.00000000  1.0
  B  B13  1  1.00000000  0.61364229  0.38635771  1.0
  B  B14  1  0.38635771  0.00000000  0.61364229  1.0
  B  B15  1  0.00000000  0.38635771  0.61364229  1.0
  B  B16  1  0.61364229  1.00000000  0.38635771  1.0
  B  B17  1  0.38635771  0.61364229  0.00000000  1.0